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CHEBI:172699 - 3,17-Androstanediol glucuronide

ChEBI IDCHEBI:172699
ChEBI Name3,17-Androstanediol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O8
Net Charge0
Average Mass468.587
Monoisotopic Mass468.27232
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](OC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C2
InChIInChI=1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1
InChIKeyTWDCYBTXSUNASK-WGGIPMEBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3,17-Androstanediol glucuronide (CHEBI:172699) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
Manual XrefsDatabases
HMDB0010321HMDB
2299165ChemSpider
Registry NumbersSources
CAS:27195-25-1ChemIDplus